3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxidanylidene-3-[(4-piperazin-1-ylphenyl)amino]indole-5-carbonitrile

Systemtic Name: 3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxidanylidene-3-[(4-piperazin-1-ylphenyl)amino]indole-5-carbonitrile Openeye Name: 3-(2-ethoxy-3-pyridyl)-1-(2-methoxyphenyl)sulfonyl-2-oxo-3-(4-piperazin-1-ylanilino)indoline-5-carbonitrile CAS Name: 3-(2-ethoxy-3-pyridinyl)-1-(2-methoxyphenyl)sulfonyl-2-oxo-3-[4-(1-piperazinyl)anilino]-5-indolecarbonitrile IUPAC Name: 3-(2-ethoxypyridin-3-yl)-1-(2-methoxyphenyl)sulfonyl-2-oxo-3-(4-piperazin-1-ylanilino)indole-5-carbonitrile Traditional Name: 3-(2-ethoxy-3-pyridyl)-2-keto-1-(2-methoxyphenyl)sulfonyl-3-(4-piperazinoanilino)indoline-5-carbonitrile Formula: C33H32N6O5S MolecularWeight: 624.70938

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4OC)NC5=CC=C(C=C5)N6CCNCC6

Isomeric SMILES

CCOC1=C(C=CC=N1)C2(C3=C(C=CC(=C3)C#N)N(C2=O)S(=O)(=O)C4=CC=CC=C4OC)NC5=CC=C(C=C5)N6CCNCC6

InChI

InChI=1S/C33H32N6O5S/c1-3-44-31-26(7-6-16-36-31)33(37-24-11-13-25(14-12-24)38-19-17-35-18-20-38)27-21-23(22-34)10-15-28(27)39(32(33)40)45(41,42)30-9-5-4-8-29(30)43-2/h4-16,21,35,37H,3,17-20H2,1-2H3